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On a thermodynamically consistent Becker-Doering model of nucleation of liquid droplets in vapour and solids

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Abstract Book of the XXIII IUPAP International Conference on Statistical Physics, Genova, Italy, (9-13 July 2007)

Abstract

For the description of the nuclation of liquid precipitates in semi-insulating GaAs we propose a modified Becker-Doering model that takes thermomechanical coupling into account. In the model there is considered the deviatoric bulk stresses in the solid, the surface stress on the interface between the solid and the liquid phase, and the misfit situation between both phases. We determine the structure of equilibrium solutions according to the Becker\-Doe\-ring model, and we compare these solutions with those that result from equilibrium thermodynamics. Further, we demonstrate that the new model is consistent to second law of thermodynamics. In contrast to the new model the existing Becker-Doering models in the literature exhibit discrepancies to the thermodynamics. In particular, the possible equilibria, if there are any, contradict the equilibria resulting from a purely thermodynamic point of view. After this discussion we apply the modified Becker-Doering model with thermodynamically consistent transition rates to two explicit cases: These are the classical liquid/vapour system for a pure substance, and the liquid/solid system for semi-insulating GaAs. The main difference of the two systems regards the available free energies for the corresponding single droplet systems.

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